4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid 4-phthalimidobutyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O6S2/c24-19-15-7-1-2-8-16(15)20(25)23(19)12-5-6-13-29-21(26)18-17(9-14-30-18)31(27,28)22-10-3-4-11-22/h1-2,7-9,14H,3-6,10-13H2